N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide

C21H17N3O3S — CID 9354612

IUPACN-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1OCc1nc(-c2ccsc2)no1
InChIInChI=1S/C21H17N3O3S/c25-21(22-12-15-6-2-1-3-7-15)17-8-4-5-9-18(17)26-13-19-23-20(24-27-19)16-10-11-28-14-16/h1-11,14H,12-13H2,(H,22,25)
InChIKeyAYLFNJUYPWFBNV-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.31
Rot. Bonds7

About N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide

N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide (PubChem CID 9354612) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
PubChem CID9354612
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
SMILESO=C(NCc1ccccc1)c1ccccc1OCc1nc(-c2ccsc2)no1
InChIInChI=1S/C21H17N3O3S/c25-21(22-12-15-6-2-1-3-7-15)17-8-4-5-9-18(17)26-13-19-23-20(24-27-19)16-10-11-28-14-16/h1-11,14H,12-13H2,(H,22,25)
InChIKeyAYLFNJUYPWFBNV-UHFFFAOYSA-N
XLogP4.31
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43214779
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
N-benzyl-2-[(5-phenyl-1,2-oxazol-3-yl)methoxy]benzamide
CID 9354603
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]naphthalen-1-yl]methoxy]benzamide
CID 101429178
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-(furan-2-ylmethyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267095
N-(furan-2-ylmethyl)-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 16577154
N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238389
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 30028981
N-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 18099530
N-(3,5-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237955
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide
CID 27876772

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The IUPAC name of N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide (CID 9354612) is N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide.
What is the SMILES notation for N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The canonical SMILES for N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide is O=C(NCc1ccccc1)c1ccccc1OCc1nc(-c2ccsc2)no1.
What is the InChIKey of N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
The InChIKey is AYLFNJUYPWFBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-21(22-12-15-6-2-1-3-7-15)17-8-4-5-9-18(17)26-13-19-23-20(24-27-19)16-10-11-28-14-16/h1-11,14H,12-13H2,(H,22,25).
What are the key properties of N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide?
N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide has a molecular weight of 391.45 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide is sourced from PubChem (CID 9354612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).